3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide

C15H25N3O3 — CID 67036605

IUPAC3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)OC[C@@H](O)c1cnc(CC(C)(C)C(N)=O)cn1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)21-9-12(19)11-8-17-10(7-18-11)6-15(4,5)13(16)20/h7-8,12,19H,6,9H2,1-5H3,(H2,16,20)/t12-/m1/s1
InChIKeyCSKAYAVVRQQNHB-GFCCVEGCSA-N
MW295.38 g/mol
LogP1.38
Rot. Bonds6

About 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide

3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 67036605) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
PubChem CID67036605
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)OC[C@@H](O)c1cnc(CC(C)(C)C(N)=O)cn1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)21-9-12(19)11-8-17-10(7-18-11)6-15(4,5)13(16)20/h7-8,12,19H,6,9H2,1-5H3,(H2,16,20)/t12-/m1/s1
InChIKeyCSKAYAVVRQQNHB-GFCCVEGCSA-N
XLogP1.38
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide (CID 67036605) is 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)OC[C@@H](O)c1cnc(CC(C)(C)C(N)=O)cn1.
What is the InChIKey of 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is CSKAYAVVRQQNHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)21-9-12(19)11-8-17-10(7-18-11)6-15(4,5)13(16)20/h7-8,12,19H,6,9H2,1-5H3,(H2,16,20)/t12-/m1/s1.
What are the key properties of 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide?
3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1S)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 67036605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).